Phthalic Acid

SCHEMBL7897915

CC(=O)O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2A ADRA2B ADRA2C ADRB2 AGTR1 AVPR1A AVPR1B AVPR2 BDKRB2 CALCR CHRNA3 CHRNB4 ESR1 ESR2 GHSR GNRHR GSC1 HSPA8 MALT1 MC1R MC4R NOS1 NOS2 NOS3 OPRK1 OXTR RAMP1 RAMP2 RAMP3 SCN5A SSTR1 SSTR2 SSTR3 SSTR4 SSTR5 dacA dacB dacC folP ftsI mrcA mrcB mrdA rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of Phthalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ESR1 known ✓	P03372	1/20	0.58

▸	ALDH1A1	P00352	5/20	0.82

▸	ALOX15	P16050	1/20	0.82

▸	AKR1C3	P42330	2/20	0.61

▸	CA12	O43570	3/20	0.60

▸	CA1	P00915	3/20	0.60

▸	CA2	P00918	3/20	0.60

▸	CA4	P22748	3/20	0.60

▸	CA7	P43166	3/20	0.60

▸	CA9	Q16790	3/20	0.60

▸	KDM4E	B2RXH2	2/20	0.59

▸	HMGB1	P09429	2/20	0.59

▸	HPGD	P15428	2/20	0.59

▸	NAPRT	Q6XQN6	2/20	0.59

▸	CA6	P23280	1/20	0.59

▸	SMN1; SMN2	Q16637	1/20	0.59

▸	CA14	Q9ULX7	1/20	0.59

▸	HSD17B10	Q99714	2/20	0.58

▸	ITGB3	P05106	1/20	0.58

▸	ITGA2B	P08514	1/20	0.58

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.

Compound	similarity	top predicted	shared targets
Phthalic Acid SCHEMBL2777	1.00	ALDH1A1 (0.82)	ALDH1A1ALOX15AKR1C3CA12CA1
Phthalic Acid SCHEMBL27618507	1.00	ALDH1A1 (0.82)	ALDH1A1ALOX15AKR1C3CA12CA1
Phthalic Acid SCHEMBL2561870	1.00	ALDH1A1 (0.82)	ALDH1A1ALOX15AKR1C3CA12CA1
Phthalic Acid SCHEMBL30100313	1.00	ALDH1A1 (0.82)	ALDH1A1ALOX15AKR1C3CA12CA1
Phthalic Acid SCHEMBL8398555	1.00	ALDH1A1 (0.82)	ALDH1A1ALOX15AKR1C3CA12CA1
Phthalic Acid SCHEMBL11323294	1.00	ALDH1A1 (0.82)	ALDH1A1ALOX15AKR1C3CA12CA1
Phthalic Acid SCHEMBL29358471	1.00	ALDH1A1 (0.82)	ALDH1A1ALOX15AKR1C3CA12CA1
Phthalic Acid SCHEMBL6336453	0.97	ALDH1A1 (0.78)	ALDH1A1ALOX15AKR1C3CA12CA1
Phthalic Acid SCHEMBL6383293	0.97	ALDH1A1 (0.78)	ALDH1A1ALOX15AKR1C3CA12CA1
Phthalic Acid SCHEMBL1896598	0.97	ALDH1A1 (0.78)	ALDH1A1ALOX15AKR1C3CA12CA1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-6280772-B1	COMPOSITION FOR SLOW RELEASE OF ACTIVE CARBOXY COMPOUND AND POLESTER OF HYDROXY ACID, COOLING AND COMPLEXING	BAYLOR UNIVERSITY	2001-08-28	—	—	US	disclosed
US-5855915-A	COMPLEX OF ASPIRIN AND POLYGLYCOLIDE	BAYLOR UNIVERSITY (US)	1999-01-05	—	—	US	disclosed
WO-1997002019-A1	POLYESTER/CARBOXYLIC ACID COMPOSITE MATERIALS	BAYLOR UNIVERSITY (US)	1997-01-23	—	—	WO	disclosed