SCHEMBL5873701

SCHEMBL5873701

CC(C=O)=CC=CC(C)=CC=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
ALOX15 P16050 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 3/20 0.48
RECQL P46063 2/20 0.48
HSD17B10 Q99714 2/20 0.48
PTGS1 P23219 1/20 0.46
CYP3A4 P08684 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
TP53 P04637 1/20 0.42
APP P05067 1/20 0.42
SNCA P37840 1/20 0.42
NR2E1 Q9Y466 1/20 0.42
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
PGR P06401 1/20 0.36
PTPN1 P18031 1/20 0.32

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
SCHEMBL5873700 1.00 ALDH1A1 (0.48) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL5074195 0.90 ALDH1A1 (0.58) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL13903784 0.90 ALDH1A1 (0.58) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL2832986 0.90 ALDH1A1 (0.58) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL17366592 0.90 ALDH1A1 (0.58) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL13885810 0.90 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL2616645 0.90 ALDH1A1 (0.58) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL4124094 0.88 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL21382193 0.88 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1TSHRRECQL
SCHEMBL13903782 0.88 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1TSHRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4268444-A REACTING A DIALDEHYDE WITH A YLIDE AND PHOSPHINE COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1981-05-19 US claimed
US-7045641-B2 Process for preparing polyenedialdehyde monoacetals BASF AKTIENGESELLSCHAFT (DE) 2006-05-16 US disclosed
US-20030158427-A1 Process for preparing polyenedialdehyde monoacetals BASF AKTIENGESELLSCHAFT (DE) 2003-08-21 US disclosed
EP-1325919-A1 Process for the preparation of polyendialdehydemonoacetals BASF AKTIENGESELLSCHAFT (DE) 2003-07-09 EP disclosed
EP-0742205-B1 Process for the preparation of beta-carotene with high 9(Z) content BASF AG (DE) 2000-08-23 EP disclosed
US-5689022-A Preparation of β-carotene products with a high 9 (Z) content BASF AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
EP-0742205-A2 Process for the preparation of beta-carotene with high 9(Z) content BASF AKTIENGESELLSCHAFT (DE) 1996-11-13 EP disclosed
EP-0523534-B1 Process for the preparation of polyenes BASF AG (DE) 1995-02-01 EP disclosed
US-5276209-A Preparation of polyenes BASF AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
EP-0523534-A2 Process for the preparation of polyenes BASF Aktiengesellschaft (DE) 1993-01-20 EP disclosed
EP-0011758-B1 PROCESS FOR PREPARING POLYENE ALDEHYDES BASF Aktiengesellschaft (DE) 1981-09-23 EP disclosed
US-4268444-A REACTING A DIALDEHYDE WITH A YLIDE AND PHOSPHINE COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4268444-A REACTING A DIALDEHYDE WITH A YLIDE AND PHOSPHINE COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
EP-0011758-A1 Process for preparing polyene aldehydes BASF Aktiengesellschaft (DE) 1980-06-11 EP disclosed
EP-0011758-A1 Process for preparing polyene aldehydes BASF Aktiengesellschaft (DE) 1980-06-11 EP 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 (1 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-20030158427-A1 Process for preparing polyenedialdehyde monoacetals PDHA2, AKR1C4, SRD5A2 ALDH1A1 49/4885ALOX15 1234/4885TDP1 4151/4885

“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.