SCHEMBL6900908

SCHEMBL6900908

CCOC(=O)C(c1ccc(C(C)(C)C)cc1)[C@@H](C)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
EEF2K O00418 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
GRIA4 P48058 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1905063 1.00 POLB (0.40) POLBMAPTLMNASMN1; SMN2TP53
SCHEMBL11932090 0.91 POLB (0.40) POLBLMNASMN1; SMN2TP53MEN1
SCHEMBL11932089 0.90 POLB (0.46) POLBMAPTMEN1KMT2A
SCHEMBL11932088 0.90 POLB (0.46) POLBMAPTMEN1KMT2A
SCHEMBL1904465 0.90 POLB (0.46) POLBMAPTMEN1KMT2A
SCHEMBL6902038 0.89 PDE2A (0.45) POLBLMNASMN1; SMN2TSHR
SCHEMBL11932087 0.87 KMT2A (0.40) POLBMAPTLMNASMN1; SMN2AKR1C3
SCHEMBL517023 0.87 KMT2A (0.40) POLBMAPTLMNASMN1; SMN2AKR1C3
SCHEMBL6899887 0.87 SMN1; SMN2 (0.47) POLBLMNASMN1; SMN2CYP2C9MEN1
SCHEMBL28016609 0.85 MAPT (0.41) MAPTLMNASMN1; SMN2CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-07-05 US disclosed
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2020-12-10 US disclosed
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-20 US disclosed
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-04-16 US disclosed
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 US disclosed
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 US disclosed
US-20160264515-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-15 US disclosed
US-20160264515-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-15 US disclosed
EP-2649045-B1 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2015-05-27 EP disclosed
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-28 US disclosed
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-28 US disclosed
WO-2012139888-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-18 WO disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160264515-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA POLB 1933/4885MAPT 3036/4885LMNA 195/4885
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH POLB 3032/4885MAPT 3095/4885LMNA 340/4885
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA POLB 1933/4885MAPT 3036/4885LMNA 195/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH POLB 3032/4885MAPT 3095/4885LMNA 340/4885
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA POLB 1933/4885MAPT 3036/4885LMNA 195/4885
US-20190185415-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA POLB 1933/4885MAPT 3036/4885LMNA 195/4885
US-20200385335-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE PC, FABP3, PCCA POLB 1933/4885MAPT 3036/4885LMNA 195/4885
US-10259776-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA POLB 1933/4885MAPT 3036/4885LMNA 195/4885
US-10023528-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA POLB 1933/4885MAPT 3036/4885LMNA 195/4885
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof PC, ACACA, PCCA POLB 3613/4885MAPT 4559/4885LMNA 456/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.