SCHEMBL9970934

SCHEMBL9970934

CC(C)c1ccc(-c2ccccc2F)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
SLC9A1 P19634 1/20 0.43
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 6/20 0.40
HPGD P15428 2/20 0.40
PDE4B Q07343 4/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39

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
SCHEMBL18539935 0.85 SLC9A1 (0.46) AMY1AALDH1A1KMT2AMEN1HTT
SCHEMBL13809598 0.78 NPFFR1 (0.44) ALDH1A1KMT2AMEN1SLC9A1RAB9A
SCHEMBL9970933 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HTTSLC9A1
SCHEMBL5544657 0.76 SMN1; SMN2 (0.49) AMY1AALDH1A1KMT2AMEN1HTT
SCHEMBL5544654 0.72 KMT2A (0.46) AMY1AALDH1A1KMT2AMEN1HTT
SCHEMBL2624398 0.71 ALOX5 (0.53) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL9263390 0.71 GABRA1 (0.43) KMT2AMEN1MAPTTSHRTDP1
SCHEMBL16924614 0.70 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1SLC9A1RAB9A
SCHEMBL18539953 0.69 MAPK14 (0.32) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL25854773 0.69 NPC1 (0.37) AMY1AALDH1A1RAB9ASMN1; SMN2KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US 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 (2 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-20170233414-A1 DERIVATIVES OF BODIPY NPC1L1, NPC1, ABCB4 AMY1A 3608/4885ALDH1A1 2043/4885KMT2A 4438/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD AMY1A 2367/4885ALDH1A1 333/4885KMT2A 3719/4885

“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.