Sugi Predict

Sugi Predict / Compounds / SCHEMBL399616

SCHEMBL399616

SCHEMBL399616

Fc1cccc2c1C1(c3ccc(OCc4ccccc4)cc3)CCCCC=C1O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.43
▸ MAOB P27338 5/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP13 P45452 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
SCHEMBL402382 0.74 RORC (0.48) RORCMAOBRAB9ASMN1; SMN2NPC1
SCHEMBL402395 0.70 RORC (0.48) RORCMAOBRAB9ASMN1; SMN2NPC1
SCHEMBL398339 0.69 RORC (0.47) RORCMAOBRAB9ASMN1; SMN2NPC1
SCHEMBL401955 0.69 RORC (0.45) RORCMAOBRAB9ASMN1; SMN2NPC1
SCHEMBL28277002 0.66 MAOB (0.51) RORCMAOBRAB9ASMN1; SMN2NPC1
SCHEMBL11471821 0.65 MMP2 (0.55) RORCMAOBRAB9ASMN1; SMN2LMNA
SCHEMBL399556 0.65 RORC (0.45) RORCMAOBRAB9ASMN1; SMN2NPC1
SCHEMBL400339 0.64 RORC (0.49) RORCMAOBMAOAMMP2MMP13
SCHEMBL400524 0.64 RORC (0.42) RORCMAOBSMN1; SMN2MAOAFFAR1
SCHEMBL398957 0.64 RORC (0.42) RORCRAB9ASMN1; SMN2NPC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200994-B1 CONDENSED COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARM INC (US) 2014-01-22 — — EP disclosed
US-8470872-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2013-06-25 — — US disclosed
US-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2012-04-12 — — US disclosed
US-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 — — US disclosed
US-8101651-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2012-01-24 — — US disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 — — US disclosed
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. 2009-05-21 — — 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-20120088825-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA RORC 315/4885MAOB 685/4885RAB9A 2743/4885
US-20090131510-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESRRB, ESR2, ESRRA RORC 315/4885MAOB 685/4885RAB9A 2743/4885

“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.