SCHEMBL3731316

SCHEMBL3731316

CC(O)(C(=O)O)c1ccccc1-c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.43
ABL1 P00519 2/20 0.42
ABCB1 P08183 2/20 0.42
BCR P11274 2/20 0.42
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
MMP9 P14780 1/20 0.39
ESR2 Q92731 4/20 0.39
ESR1 P03372 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARG P37231 2/20 0.38

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
SCHEMBL6839847 0.78 ALDH1A1 (0.50) ABL1ABCB1BCRMMP3BCL2L1
SCHEMBL344517 0.78 ABL1 (0.50) ABL1ABCB1BCRMMP3BCL2L1
SCHEMBL26136549 0.78 ABL1 (0.50) ABL1ABCB1BCRMMP3BCL2L1
SCHEMBL11841403 0.76 SLC13A5 (0.52) SLC13A5CYP2C9ALDH1A1PPARGPPARA
SCHEMBL11430414 0.75 ABL1 (0.41) ABL1ABCB1BCRMMP3BCL2L1
SCHEMBL2392972 0.75 AKR1C3 (0.43) SLC13A5RAB9AALDH1A1HSD17B10CES2
SCHEMBL16815415 0.74 ALDH1A1 (0.56) CYP2C9LMNAMAPTRAB9AKMT2A
SCHEMBL891405 0.74 ALDH1A1 (0.56) CYP2C9LMNAMAPTRAB9AKMT2A
SCHEMBL28463446 0.73 KMT2A (0.38) SLC13A5BCL2L1CYP2C9MEN1KMT2A
SCHEMBL27989193 0.72 ABL1 (0.48) ABL1ABCB1BCRMMP3BCL2L1

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-20100278759-A1 Topical Therapeutic Delivery System MURAD HOWARD 2010-11-04 US disclosed
WO-2007117352-A2 TOPICAL THERAPEUTIC DELIVERY SYSTEM MURAD HOWARD (US) 2007-10-18 WO disclosed
WO-2007092085-A2 FRAGRANCED THERAPEUTIC DELIVERY SYSTEM MURAD HOWARD (US) 2007-08-16 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 (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-20100278759-A1 Topical Therapeutic Delivery System LIPA, HCAR3, HTR2B SLC13A5 4005/4885ABL1 2348/4885ABCB1 326/4885

“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.