SCHEMBL10242018

SCHEMBL10242018

Cc1cc(C(=O)N2CCCCC2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 12/20 0.65
▸ TSHR P16473 2/20 0.65
▸ ALDH1A1 P00352 3/20 0.61
▸ KMT2A Q03164 1/20 0.59
▸ PLA2G7 Q13093 1/20 0.57
▸ CNR2 P34972 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ RECQL P46063 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL12217587 0.98 HPGD (0.64) HPGDTSHRALDH1A1KMT2APLA2G7
SCHEMBL12217590 0.95 HPGD (0.59) HPGDTSHRALDH1A1KMT2APLA2G7
SCHEMBL12218522 0.86 KMT2A (0.61) HPGDTSHRALDH1A1KMT2APOLB
SCHEMBL17689127 0.86 HPGD (0.73) HPGDTSHRALDH1A1KMT2APLA2G7
SCHEMBL12217821 0.85 KMT2A (0.60) HPGDTSHRALDH1A1KMT2APOLB
SCHEMBL12217581 0.85 HPGD (0.69) HPGDTSHRALDH1A1KMT2APLA2G7
SCHEMBL12569383 0.84 HPGD (0.73) HPGDTSHRALDH1A1KMT2APLA2G7
SCHEMBL4465213 0.84 HPGD (0.68) HPGDTSHRALDH1A1LMNAHTT
SCHEMBL12218286 0.84 SIGMAR1 (0.54) HPGDTSHRALDH1A1TP53
SCHEMBL12217759 0.84 HPGD (0.68) HPGDALDH1A1KMT2AHTTSMN1; SMN2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 — — US disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 — — US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 — — US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 — — US disclosed
US-8039638-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-18 — — US disclosed
US-8039638-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-18 — — US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 — — US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 — — US disclosed
US-20100069353-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 — — US disclosed
US-20100069353-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 — — US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 — — US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 — — US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 — — EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 — — EP disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 — — US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 — — 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 (6 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-20100069353-A1 INHIBITORS OF HIV REPLICATION RTF2, REV1, CCNT1 HPGD 1965/4885TSHR 4325/4885ALDH1A1 3455/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 HPGD 80/4885TSHR 3122/4885ALDH1A1 364/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HPGD 272/4885TSHR 3741/4885ALDH1A1 479/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR HPGD 99/4885TSHR 2963/4885ALDH1A1 340/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR HPGD 103/4885TSHR 3004/4885ALDH1A1 362/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA HPGD 57/4885TSHR 3558/4885ALDH1A1 140/4885

“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.

Send feedback