SCHEMBL6042848

SCHEMBL6042848

CCOP(=O)(CC)OCc1cc(OC)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
CALM1 P0DP23 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS2 P35354 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL3765408 0.83 TSHR (0.50) TSHRALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL8210094 0.83 TSHR (0.46) TSHRALDH1A1KMT2APOLBCALM1
SCHEMBL1486664 0.81 ALDH1A1 (0.41) TSHRALDH1A1KMT2APOLBCALM1
SCHEMBL21768002 0.76 CA2 (0.47) TSHRALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL27813649 0.75 AKR1B1 (0.43) ALDH1A1KMT2APOLBCALM1SMN1; SMN2
SCHEMBL27969559 0.75 ALDH1A1 (0.42) ALDH1A1KMT2APOLBCALM1SMN1; SMN2
SCHEMBL25614635 0.74 PTGS2 (0.50) CALM1CYP3A4PTGS2
SCHEMBL1238316 0.74 TSHR (0.56) TSHRALDH1A1POLB
SCHEMBL29121416 0.73 TSHR (0.39) TSHRALDH1A1POLBCCNT1CDK9
SCHEMBL5213455 0.73 HTT (0.45) TSHRALDH1A1SMN1; SMN2RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359298-B2 Cajanine structure analogous compound, preparation method and use INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2016-06-07 US disclosed
US-20140371232-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-12-18 US disclosed
US-20060084135-A1 Compositions for manipulating the lifespan and stress response of cells and organisms BIOMOL INTERNATIONAL, INC. 2006-04-20 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 (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-20140371232-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE ACHE, GAP43, LNPK TSHR 4767/4885ALDH1A1 2762/4885KMT2A 4368/4885

“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.